CID 370666

Nsc644042

Structural Information

Molecular Formula
C30H30N6O5S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)N6CCN(CC6)CCO
InChI
InChI=1S/C30H30N6O5S/c1-20-19-27(33-41-20)34-42(39,40)22-11-9-21(10-12-22)31-28-23-5-2-3-8-26(23)32-29-24(28)6-4-7-25(29)30(38)36-15-13-35(14-16-36)17-18-37/h2-12,19,37H,13-18H2,1H3,(H,31,32)(H,33,34)
InChIKey
VCOJUZCFHIIFDT-UHFFFAOYSA-N
Compound name
4-[[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.1998 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.20708 232.5
[M+Na]+ 609.18902 237.6
[M-H]- 585.19252 241.0
[M+NH4]+ 604.23362 231.0
[M+K]+ 625.16296 231.8
[M+H-H2O]+ 569.19706 221.1
[M+HCOO]- 631.19800 239.6
[M+CH3COO]- 645.21365 236.8
[M+Na-2H]- 607.17447 235.9
[M]+ 586.19925 234.9
[M]- 586.20035 234.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.